CID 14049808

3-bromo-4-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4BrIO
SMILES
C1=CC(=C(C=C1C=O)Br)I
InChI
InChI=1S/C7H4BrIO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey
VAVSECWDLQMKNS-UHFFFAOYSA-N
Compound name
3-bromo-4-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

309.84903 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85631 139.4
[M+Na]+ 332.83825 145.6
[M-H]- 308.84175 139.5
[M+NH4]+ 327.88285 157.5
[M+K]+ 348.81219 140.8
[M+H-H2O]+ 292.84629 136.4
[M+HCOO]- 354.84723 157.3
[M+CH3COO]- 368.86288 190.4
[M+Na-2H]- 330.82370 136.3
[M]+ 309.84848 155.1
[M]- 309.84958 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe